Vitas-M small molecule compound
tert-butyl 2-(5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate
Catalog ID
STL347276
SMILES O=C(N1CCCC1c1nnc(o1)SC/C=C/c1ccccc1)OC(C)(C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H25N3O3S MW 387.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O3S/c1-20(2,3)26-19(24)23-13-7-12-16(23)17-21-22-18(25-17)27-14-8-11-15-9-5-4-6-10-15/h4-6,8-11,16H,7,12-14H2,1-3H3/b11-8+InChIKey
PCKCLAQSWPIHIX-DHZHZOJOSA-NSynonyms
(E)TERTBUTYL2(5(CINNAMYLTHIO)134OXADIAZOL2YL)PYRROLIDINE1CARBOXYLATE
(SE)tertbutyl2(5(cinnamylthio)134oxadiazol2yl)pyrrolidine1carboxylate
CC(C)(C)OC(=O)N1CCCC1C2=NN=C(O2)SCC=CC3=CC=CC=C3
InChI=1SC20H25N3O3Sc120(23)2619(24)231371216(23)17212218(2517)27148111595461015h4681116H71214H213H3b118+
MFCD09250224
O=C(N1CCC(C@H)1c1nnc(o1)SCC=Cc1ccccc1)OC(C)(C)C
O=C(N1CCCC1c1nnc(o1)SCC=Cc1ccccc1)OC(C)(C)C
tertbutyl2(5(((2E)3phenylprop2en1yl)sulfanyl)134oxadiazol2yl)pyrrolidine1carboxylate
TERTBUTYL2(5((E)3PHENYLPROP2ENYL)SULFANYL134OXADIAZOL2YL)PYRROLIDINE1CARBOXYLATE
ZINC000002453860
ZINC000004301326
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